3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one

C13H9ClN4O — CID 71741970

IUPAC3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESNn1c(-c2ccc(Cl)cc2)nc2ncccc2c1=O
InChIInChI=1S/C13H9ClN4O/c14-9-5-3-8(4-6-9)12-17-11-10(2-1-7-16-11)13(19)18(12)15/h1-7H,15H2
InChIKeyGIPYWJPFWAHSAE-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.83
Rot. Bonds1

About 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one

3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 71741970) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID71741970
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESNn1c(-c2ccc(Cl)cc2)nc2ncccc2c1=O
InChIInChI=1S/C13H9ClN4O/c14-9-5-3-8(4-6-9)12-17-11-10(2-1-7-16-11)13(19)18(12)15/h1-7H,15H2
InChIKeyGIPYWJPFWAHSAE-UHFFFAOYSA-N
XLogP1.83
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one (CID 71741970) is 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one is Nn1c(-c2ccc(Cl)cc2)nc2ncccc2c1=O.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GIPYWJPFWAHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-9-5-3-8(4-6-9)12-17-11-10(2-1-7-16-11)13(19)18(12)15/h1-7H,15H2.
What are the key properties of 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one?
3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 272.70 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71741970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).